Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234565
Preview
| Coordinates | 7234565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TPM-TPB |
|---|---|
| Chemical name | 1,3,5-tri(3-(pyrimidin-5-yl)phenyl)benzene |
| Formula | C36 H24 N6 |
| Calculated formula | C36 H24 N6 |
| Title of publication | Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy |
| Authors of publication | Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 1482 - 1489 |
| a | 13.25 ± 0.008 Å |
| b | 9.163 ± 0.006 Å |
| c | 23.928 ± 0.015 Å |
| α | 90° |
| β | 102.006 ± 0.008° |
| γ | 90° |
| Cell volume | 2842 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.18 |
| Weighted residual factors for all reflections included in the refinement | 0.2034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219294 (current) | 2019-10-11 | cif/ Adding structures of 7234563, 7234564, 7234565 via cif-deposit CGI script. |
7234565.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.